Table 1 .
Drugs whose structures were determined in complex with SARS-CoV-2
| Drug | KEGG | DrugBank | Target | PDB codes | Clinical Status |
|---|---|---|---|---|---|
| Remdesivir | D11472 | DB14761 | Nsp12 (RdRp) | 7c2k, 7bv2, 7b3b, 7b3c, 7l1f | EUA for COVID-19 |
| Favipiravir | D09537 | DB12466 | Nsp12 (RdRp) | 7aap, 7ctt | Phase 3 for COVID-19 |
| Suramina) | D00808 | DB04786 | Nsp12 (RdRp) | 7d4f | Phase 2 for acute kidney injury |
| Bamlanivimab | D11936 | DB15718 | S | 7l3n | EUA for COVID-19 |
| Etesevimab | D11944 | DB15897 | S | 7c01 | EUA for COVID-19 |
| Casirivimab | D11938 | DB15941 | S | 6xdg | EUA for COVID-19 |
| Imdevimab | D11939 | DB15940 | S | 6xdg | EUA for COVID-19 |
| PF-00835231 | None | None | 3CLpro | 6xhm | Phase 1 |
| GC-376a) | None | None | 3CLpro | 6wtj, 7c8u, 7cb7, 7cbt, 7jsu, 7k0f | n.a. |
| Boceprevira) | D08876 | DB08873 | 3CLpro | 6wnp, 6xqu, 6zru, 7brp, 7c6s, 7com, 7k40 | Approved for HCV |
| Telaprevir | D09012 | DB05521 | 3CLpro | 6xqs, 6zrt, 7c7p, 7k6d, 7k6e, 7lb7 | Approved for HCV |
| Baicaleina) | C10023 | DB16101 | 3CLpro | 6m2n | Phase 2 for influenza infection |
| Carmofura) | D01784 | DB09010 | 3CLpro | 7buy | n.a. |
| Shikonina) | C17412 | None | 3CLpro | 7ca8 | n.a. |
| Ebselena) | None | DB12610 | 3CLpro | 7bak, 7bal, 7bfb | Phase 2 for COVID-19 |
| Myricetina) | C10107 | DB02375 | 3CLpro | 7b3e | n.a. |
| Ascorbic acid | D00018 | DB00126 | 3CLpro | 7mpb | Phase 3 for COVID-19 |
| Ebselena) | None | DB12610 | Nsp3 (PLpro) | 7m1y | Phase 2 for COVID-19 |
| GRL0617 | None | DB08656 | Nsp3 (PLpro) | 7jrn, 7cjm, 7cmd, 7jir | n.a. |
| GS-441524 | C22275 | DB15686 | Nsp3 (PLpro) | 7bf6 | Phase 1 for COVID-19 |
| Tipiracil | D10467 | DB09343 | Nsp15 | 6wxc | Approved for colorectal cancer |
| Sinefungin | D05846 | DB01910 | Nsp16 | 6wkq, 6yz1 | n.a. |
a) The inhibitory activity was measured and confirmed by high-throughput in vitro assays. EUA: Emergency used authorization for COVID-19 by FDA.